Structure and Stability of B4, B4+ and B4- Clusters
β Scribed by Hong Wei Jin; Qian Shu Li
- Publisher
- John Wiley and Sons
- Year
- 2003
- Weight
- 4 KB
- Volume
- 34
- Category
- Article
- ISSN
- 0931-7597
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The structures and energies of B q , observed experimentally to be 13 an unusually abundant species among cationic boron clusters, have been studied systematically with B3LYPr6α31G\* density functional theory. The most thermodynamically stable B q and B q clusters are confirmed to have planar or 12
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